SCHEMBL5020469

SCHEMBL5020469

COC(=O)c1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(C)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC1 Q13547 8/20 0.49
ACACB O00763 1/20 0.45
HTR5A P47898 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BAZ2B Q9UIF8 1/20 0.43
CHKA P35790 1/20 0.43
ALDH1A1 P00352 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5020468 0.89 HDAC6 (0.59) HDAC6HDAC10HDAC8HDAC1HTR5A
SCHEMBL61298 0.89 HDAC6 (0.58) HDAC6HDAC10HDAC8HDAC1ACACB
SCHEMBL13328917 0.81 HTR6 (0.53) HDAC6HDAC1BAZ2BALDH1A1
SCHEMBL62035 0.77 HDAC6 (0.58) HDAC6HDAC10HDAC8HDAC1HTR5A
SCHEMBL61813 0.73 BAZ2B (0.50) HDAC6HDAC10HDAC8HDAC1BAZ2B
SCHEMBL61321 0.73 DRD4 (0.59) HDAC6HDAC10HDAC8
SCHEMBL3308402 0.72 CNR1 (0.73)
SCHEMBL17991558 0.72 SMN1; SMN2 (0.51) HDAC6ACACBGAASMN1; SMN2CHKA
SCHEMBL24015897 0.71 CNR1 (0.48) HDAC6HDAC10HDAC1GAASMN1; SMN2
SCHEMBL3309963 0.71 PTGS1 (0.49) HDAC6HDAC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC6 574/4885HDAC10 788/4885HDAC8 503/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC6 574/4885HDAC10 788/4885HDAC8 503/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.